1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine

C16H23Br2NO — CID 103556467

IUPAC1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C16H23Br2NO/c1-4-19-15(10-16(20-3)6-5-7-16)12-9-13(17)11(2)8-14(12)18/h8-9,15,19H,4-7,10H2,1-3H3
InChIKeyULPFRCRDZXNZKJ-UHFFFAOYSA-N
MW405.17 g/mol
LogP5.13
Rot. Bonds6

About 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine

1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103556467) has the molecular formula C16H23Br2NO and a molecular weight of 405.17 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103556467
Molecular FormulaC16H23Br2NO
Molecular Weight405.17 g/mol
Exact Mass403.01
IUPAC Name1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C16H23Br2NO/c1-4-19-15(10-16(20-3)6-5-7-16)12-9-13(17)11(2)8-14(12)18/h8-9,15,19H,4-7,10H2,1-3H3
InChIKeyULPFRCRDZXNZKJ-UHFFFAOYSA-N
XLogP5.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.17
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556207
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 106878353
1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556510
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556204
N-ethyl-2-(1-methoxycyclobutyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682517
1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556182
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-3-methylbutan-1-amine
CID 81472790
N-ethyl-2-(1-methoxycyclobutyl)-1-phenylethanamine
CID 103556215
N-[1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556382
1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine
CID 81474259
1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556161
N-ethyl-1-(4-ethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556238

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine (CID 103556467) is 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine is CCNC(CC1(OC)CCC1)c1cc(Br)c(C)cc1Br.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is ULPFRCRDZXNZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br2NO/c1-4-19-15(10-16(20-3)6-5-7-16)12-9-13(17)11(2)8-14(12)18/h8-9,15,19H,4-7,10H2,1-3H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 405.17 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103556467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).